4FRE

Crystal Structure of BBBB+UDP+Gal at pH 6.5 with MPD as the cryoprotectant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-26
Detector	RAYONIX MX-300
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	52.296, 150.809, 79.532
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.850
R-factor	0.18921
Rwork	0.187
R-free	0.22201
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sxg
RMSD bond length	0.021
RMSD bond angle	2.018
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.880
High resolution limit [Å]	1.850	5.020	1.850
Rmerge	0.072	0.056	0.313
Number of reflections	26912
<I/σ(I)>	10.5
Completeness [%]	98.7	96.2	97.7
Redundancy	5.4	4.6	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	1% PEG 4000, 5% MPD, 5 mM manganese chloride, 100 mM ammonium sulfate, 70 mM sodium chloride, 50 mM ADA, 30 mM sodium acetate with 20% MPD as cryoprotectant, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K